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Home > Bromides > 1006865-32-2
1006865-32-2 | Benzene, 1-bromo-4-[[(2S)-3-methoxy-2-methylpropoxy]methyl]-
CAS No: 1006865-32-2 Catalog No: AG0002MS MDL No:
Product Description
Catalog Number:
AG0002MS
Chemical Name:
Benzene, 1-bromo-4-[[(2S)-3-methoxy-2-methylpropoxy]methyl]-
CAS Number:
1006865-32-2
Molecular Formula:
C12H17BrO2
Molecular Weight:
273.1662
IUPAC Name:
1-bromo-4-[[(2S)-3-methoxy-2-methylpropoxy]methyl]benzene
InChI:
InChI=1S/C12H17BrO2/c1-10(7-14-2)8-15-9-11-3-5-12(13)6-4-11/h3-6,10H,7-9H2,1-2H3/t10-/m0/s1
InChI Key:
RWPUBXVEDLEIPS-JTQLQIEISA-N
SMILES:
COC[C@@H](COCc1ccc(cc1)Br)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.17g/mol
Monoisotopic Mass:
272.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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